2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide

C10H20N2O2S — CID 66128112

IUPAC2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
SMILESCNC(CSCCCO)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-12-10(9(11)14,8-3-4-8)7-15-6-2-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyGIQUZOYGVVAQOG-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.04
Rot. Bonds8

About 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide

2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide (PubChem CID 66128112) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
PubChem CID66128112
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
SMILESCNC(CSCCCO)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-12-10(9(11)14,8-3-4-8)7-15-6-2-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyGIQUZOYGVVAQOG-UHFFFAOYSA-N
XLogP-0.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-Methoxyethylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 61931959
2-(Cyclopropylamino)-5-(2-methoxyethylsulfanyl)-2-methylpentanamide
CID 61932144
5-(2-Hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 61933004
2-(Ethylamino)-5-(2-hydroxyethylsulfanyl)-2-methylpentanamide
CID 61933007
5-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propylamino)pentanamide
CID 61933212
5-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 61933420
4-(2-Hydroxyethylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 61934040
2-(Cyclopropylamino)-4-(2-hydroxyethylsulfanyl)-2-methylbutanamide
CID 61934660
2-(Cyclopropylamino)-5-(2-hydroxyethylsulfanyl)-2-methylpentanamide
CID 61934665
6-(2-Hydroxyethylsulfanyl)-2-methyl-2-(methylamino)hexanamide
CID 61934667
2-(Ethylamino)-6-(2-hydroxyethylsulfanyl)-2-methylhexanamide
CID 61934670
6-(2-Hydroxyethylsulfanyl)-2-methyl-2-(propylamino)hexanamide
CID 61935280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide (CID 66128112) is 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide is CNC(CSCCCO)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide?
The InChIKey is GIQUZOYGVVAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12-10(9(11)14,8-3-4-8)7-15-6-2-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14).
What are the key properties of 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide?
2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide has a molecular weight of 232.35 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide is sourced from PubChem (CID 66128112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).